Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xwi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N SER 76.A O no hydrogen 2.791 N/A GLU 5.A N PHE 74.A O no hydrogen 2.947 N/A LYS 10.A N ASP 13.A OD2 no hydrogen 2.861 N/A TRP 11.A N GLU 68.A OE2 no hydrogen 3.068 N/A ASP 13.A N LYS 10.A O no hydrogen 2.774 N/A VAL 14.A N TRP 11.A O no hydrogen 2.982 N/A LYS 21.A N LEU 17.A O no hydrogen 2.889 N/A LYS 21.A NZ TRP 11.A O no hydrogen 3.053 N/A LYS 21.A NZ VAL 14.A O no hydrogen 2.733 N/A GLU 22.A N GLU 18.A O no hydrogen 3.167 N/A ALA 23.A N GLY 19.A O no hydrogen 3.126 N/A LEU 24.A N ALA 20.A O no hydrogen 2.874 N/A LYS 25.A N LYS 21.A O no hydrogen 2.907 N/A GLU 26.A N GLU 22.A O no hydrogen 3.149 N/A ALA 27.A N ALA 23.A O no hydrogen 2.825 N/A VAL 28.A N LEU 24.A O no hydrogen 2.736 N/A LEU 30.A N LYS 25.A O no hydrogen 2.932 N/A LYS 33.A N ILE 29.A O no hydrogen 2.764 N/A PHE 34.A N LEU 30.A O no hydrogen 2.904 N/A LEU 37.A N PHE 34.A O no hydrogen 2.972 N/A PHE 38.A N PRO 35.A O no hydrogen 3.058 N/A ARG 42.A N THR 39.A O no hydrogen 2.801 N/A ARG 42.A NH1 LEU 37.A O no hydrogen 2.951 N/A GLY 47.A N GLU 171.A OE1 no hydrogen 2.907 N/A ILE 48.A N VAL 152.A O no hydrogen 2.739 N/A LEU 49.A N LYS 172.A O no hydrogen 2.856 N/A LEU 50.A N GLY 154.A O no hydrogen 2.709 N/A PHE 51.A N ILE 174.A O no hydrogen 3.014 N/A GLY 52.A N THR 156.A O no hydrogen 3.330 N/A THR 56.A OG1 PRO 53.A O no hydrogen 3.540 N/A LYS 58.A NZ PRO 53.A O no hydrogen 3.474 N/A LYS 58.A NZ ASN 157.A OD1 no hydrogen 2.399 N/A LEU 61.A N GLY 57.A O no hydrogen 3.213 N/A ALA 62.A N LYS 58.A O no hydrogen 2.840 N/A LYS 63.A N SER 59.A O no hydrogen 2.933 N/A LYS 63.A NZ SER 59.A OG no hydrogen 3.369 N/A ALA 64.A N TYR 60.A O no hydrogen 3.202 N/A VAL 65.A N LEU 61.A O no hydrogen 3.050 N/A ALA 66.A N ALA 62.A O no hydrogen 2.854 N/A THR 67.A N LYS 63.A O no hydrogen 2.830 N/A THR 67.A OG1 PRO 7.A O no hydrogen 3.113 N/A THR 67.A OG1 VAL 9.A O no hydrogen 3.226 N/A THR 67.A OG1 LYS 63.A O no hydrogen 2.888 N/A GLU 68.A N ALA 64.A O no hydrogen 3.063 N/A ALA 69.A N VAL 65.A O no hydrogen 2.752 N/A ASN 71.A N THR 67.A O no hydrogen 3.113 N/A SER 72.A N ALA 66.A O no hydrogen 2.969 N/A SER 72.A OG ALA 69.A O no hydrogen 2.568 N/A THR 73.A N PRO 106.A O no hydrogen 3.092 N/A PHE 74.A N GLU 5.A O no hydrogen 2.965 N/A PHE 75.A N ILE 108.A O no hydrogen 2.888 N/A SER 76.A N VAL 3.A O no hydrogen 3.063 N/A SER 80.A OG SER 78.A O no hydrogen 3.401 N/A GLY 88.A N TRP 86.A O no hydrogen 2.986 N/A SER 90.A OG LEU 87.A O no hydrogen 3.179 N/A ASN 96.A N LYS 92.A O no hydrogen 2.863 N/A ASN 96.A ND2 LYS 92.A O no hydrogen 2.897 N/A LEU 97.A N LEU 93.A O no hydrogen 2.855 N/A PHE 98.A N VAL 94.A O no hydrogen 3.082 N/A GLN 99.A N LYS 95.A O no hydrogen 3.118 N/A LEU 100.A N ASN 96.A O no hydrogen 3.046 N/A ALA 101.A N LEU 97.A O no hydrogen 3.228 N/A ARG 102.A N PHE 98.A O no hydrogen 3.011 N/A ARG 102.A NE ASN 147.A OD1 no hydrogen 2.444 N/A ARG 102.A NH1 GLN 139.A OE1 no hydrogen 3.393 N/A ARG 102.A NH2 GLN 139.A OE1 no hydrogen 2.682 N/A ARG 102.A NH2 ASN 147.A OD1 no hydrogen 3.169 N/A GLU 103.A N GLN 99.A O no hydrogen 2.962 N/A ASN 104.A N ALA 101.A O no hydrogen 2.970 N/A ASN 104.A ND2 LEU 100.A O no hydrogen 2.717 N/A LYS 105.A NZ ASP 146.A O no hydrogen 3.534 N/A LYS 105.A NZ ASP 148.A O no hydrogen 2.455 N/A SER 107.A N GLY 149.A O no hydrogen 2.872 N/A SER 107.A OG ALA 101.A O no hydrogen 2.945 N/A ILE 108.A N THR 73.A O no hydrogen 2.906 N/A ILE 109.A N LEU 151.A O no hydrogen 2.728 N/A PHE 110.A N PHE 75.A O no hydrogen 2.816 N/A ILE 111.A N LEU 153.A O no hydrogen 3.010 N/A GLU 113.A N ASP 112.A OD1 no hydrogen 3.067 N/A ILE 114.A N ALA 155.A O no hydrogen 2.900 N/A SER 116.A N GLU 113.A O no hydrogen 2.784 N/A SER 116.A OG SER 80.A O no hydrogen 3.520 N/A SER 116.A OG GLU 113.A O no hydrogen 3.452 N/A LEU 117.A N ILE 114.A O no hydrogen 3.275 N/A CYS 118.A N ASP 115.A O no hydrogen 2.950 N/A CYS 118.A SG VAL 161.A O no hydrogen 3.253 N/A GLY 119.A N SER 116.A O no hydrogen 2.906 N/A SER 120.A OG GLY 119.A O no hydrogen 2.861 N/A SER 120.A OG GLU 123.A OE1 no hydrogen 3.358 N/A SER 122.A OG ARG 121.A O no hydrogen 2.465 N/A ILE 132.A N ALA 128.A O no hydrogen 2.624 N/A LYS 133.A N ALA 129.A O no hydrogen 3.046 N/A THR 134.A N ARG 130.A O no hydrogen 3.193 N/A THR 134.A OG1 ARG 130.A O no hydrogen 2.735 N/A GLU 135.A N ARG 131.A O no hydrogen 3.189 N/A PHE 136.A N ILE 132.A O no hydrogen 2.894 N/A LEU 137.A N LYS 133.A O no hydrogen 2.967 N/A VAL 138.A N THR 134.A O no hydrogen 2.670 N/A GLN 139.A N GLU 135.A O no hydrogen 2.995 N/A GLN 139.A NE2 GLU 135.A OE2 no hydrogen 3.155 N/A MET 140.A N PHE 136.A O no hydrogen 2.966 N/A GLN 141.A N LEU 137.A O no hydrogen 3.056 N/A GLN 141.A NE2 GLY 142.A O no hydrogen 3.482 N/A GLY 142.A N VAL 138.A O no hydrogen 3.131 N/A ILE 150.A N ASN 147.A O no hydrogen 3.122 N/A LEU 151.A N SER 107.A O no hydrogen 3.004 N/A VAL 152.A N ARG 46.A O no hydrogen 2.916 N/A LEU 153.A N ILE 109.A O no hydrogen 2.735 N/A GLY 154.A N ILE 48.A O no hydrogen 2.932 N/A ALA 155.A N ILE 111.A O no hydrogen 2.935 N/A THR 156.A N LEU 50.A O no hydrogen 3.044 N/A THR 156.A OG1 ASP 115.A OD1 no hydrogen 3.425 N/A ILE 158.A N THR 156.A OG1 no hydrogen 3.051 N/A VAL 161.A N ILE 158.A O no hydrogen 3.053 N/A LEU 162.A N PRO 159.A O no hydrogen 3.270 N/A ALA 165.A N ASP 163.A OD2 no hydrogen 3.325 N/A ARG 167.A N ASP 163.A O no hydrogen 3.136 N/A ARG 168.A N SER 164.A O no hydrogen 3.101 N/A ARG 169.A N ILE 166.A O no hydrogen 2.902 N/A PHE 170.A N ARG 167.A O no hydrogen 2.650 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.967 N/A LYS 172.A N GLY 47.A O no hydrogen 3.424 N/A ARG 173.A NE PHE 170.A O no hydrogen 3.032 N/A ARG 173.A NH1 GLY 319.A O no hydrogen 2.939 N/A ARG 173.A NH2 ARG 167.A O no hydrogen 3.539 N/A ARG 173.A NH2 GLY 322.A O no hydrogen 3.204 N/A ILE 174.A N LEU 49.A O no hydrogen 2.850 N/A ILE 176.A N PHE 51.A O no hydrogen 2.744 N/A ARG 184.A N GLU 180.A O no hydrogen 2.901 N/A ARG 184.A NE PRO 179.A O no hydrogen 3.131 N/A ARG 184.A NH1 THR 211.A OG1 no hydrogen 3.422 N/A ARG 184.A NH1 ASP 212.A OD1 no hydrogen 3.567 N/A ARG 184.A NH2 PRO 179.A O no hydrogen 3.376 N/A ARG 184.A NH2 ASP 212.A OD1 no hydrogen 3.218 N/A ALA 185.A N PRO 181.A O no hydrogen 2.885 N/A ALA 186.A N HIS 182.A O no hydrogen 3.008 N/A MET 187.A N ALA 183.A O no hydrogen 2.952 N/A PHE 188.A N ARG 184.A O no hydrogen 3.010 N/A LYS 189.A N ALA 185.A O no hydrogen 3.284 N/A LYS 189.A NZ GLU 201.A OE1 no hydrogen 3.372 N/A LYS 189.A NZ GLU 201.A OE2 no hydrogen 3.121 N/A LEU 190.A N ALA 186.A O no hydrogen 2.966 N/A HIS 191.A N MET 187.A O no hydrogen 2.912 N/A LEU 192.A N PHE 188.A O no hydrogen 2.965 N/A GLY 193.A N LYS 189.A O no hydrogen 3.191 N/A THR 195.A N LEU 192.A O no hydrogen 3.309 N/A THR 195.A OG1 LEU 192.A O no hydrogen 2.534 N/A ASN 197.A ND2 THR 195.A O no hydrogen 2.746 N/A SER 198.A N VAL 287.A O no hydrogen 3.162 N/A LEU 199.A N ASN 197.A OD1 no hydrogen 3.038 N/A THR 200.A N ASP 203.A OD2 no hydrogen 2.547 N/A ASP 203.A N THR 200.A OG1 no hydrogen 2.963 N/A PHE 204.A N THR 200.A O no hydrogen 3.332 N/A ARG 205.A N GLU 201.A O no hydrogen 2.924 N/A GLU 206.A N ALA 202.A O no hydrogen 2.738 N/A LEU 207.A N ASP 203.A O no hydrogen 2.758 N/A GLY 208.A N PHE 204.A O no hydrogen 2.874 N/A ARG 209.A N ARG 205.A O no hydrogen 2.879 N/A ARG 209.A NH1 GLU 206.A OE1 no hydrogen 2.811 N/A LYS 210.A N GLU 206.A O no hydrogen 3.044 N/A LYS 210.A N LEU 207.A O no hydrogen 3.342 N/A THR 211.A N GLY 208.A O no hydrogen 3.142 N/A THR 211.A OG1 LEU 207.A O no hydrogen 2.974 N/A THR 211.A OG1 GLY 208.A O no hydrogen 3.030 N/A TYR 214.A N THR 211.A O no hydrogen 2.808 N/A TYR 214.A OH THR 299.A O no hydrogen 2.574 N/A SER 215.A N ASP 218.A OD2 no hydrogen 3.016 N/A SER 215.A OG GLY 55.A O no hydrogen 3.545 N/A ALA 217.A N GLY 55.A O no hydrogen 2.775 N/A ASP 218.A N SER 215.A OG no hydrogen 2.958 N/A ILE 219.A N SER 215.A O no hydrogen 2.950 N/A SER 220.A N GLY 216.A O no hydrogen 3.154 N/A ILE 221.A N ALA 217.A O no hydrogen 3.185 N/A ILE 222.A N ASP 218.A O no hydrogen 3.138 N/A VAL 223.A N ILE 219.A O no hydrogen 2.874 N/A ARG 224.A N SER 220.A O no hydrogen 2.864 N/A ASP 225.A N ILE 221.A O no hydrogen 3.082 N/A ALA 226.A N ILE 222.A O no hydrogen 3.042 N/A LEU 227.A N VAL 223.A O no hydrogen 2.768 N/A MET 228.A N ASP 225.A O no hydrogen 3.051 N/A GLN 229.A N ALA 226.A O no hydrogen 3.119 N/A GLN 229.A NE2 ASP 291.A OD1 no hydrogen 3.470 N/A ARG 232.A N MET 228.A O no hydrogen 3.084 N/A ARG 232.A NH1 ASP 225.A O no hydrogen 3.301 N/A ARG 232.A NH1 GLN 229.A OE1 no hydrogen 2.557 N/A ARG 232.A NH2 ASP 225.A OD1 no hydrogen 2.925 N/A LYS 233.A N GLN 229.A O no hydrogen 2.666 N/A LYS 233.A NZ ASP 291.A OD1 no hydrogen 2.866 N/A LYS 233.A NZ ASP 291.A OD2 no hydrogen 3.388 N/A VAL 234.A N PRO 230.A O no hydrogen 2.832 N/A GLN 235.A N VAL 231.A O no hydrogen 2.827 N/A SER 236.A N ARG 232.A O no hydrogen 3.152 N/A SER 236.A OG ARG 232.A O no hydrogen 2.979 N/A ALA 237.A N LYS 233.A O no hydrogen 3.040 N/A THR 238.A OG1 HIS 239.A ND1 no hydrogen 3.026 N/A HIS 239.A ND1 THR 238.A OG1 no hydrogen 3.026 N/A PHE 240.A N ILE 270.A O no hydrogen 2.813 N/A LYS 241.A N THR 260.A O no hydrogen 2.774 N/A VAL 243.A N LEU 258.A O no hydrogen 3.144 N/A GLY 245.A N VAL 255.A O no hydrogen 3.096 N/A SER 247.A N HIS 253.A O no hydrogen 2.881 N/A ARG 248.A NH2 GLY 279.A O no hydrogen 2.635 N/A ALA 249.A N SER 247.A OG no hydrogen 2.603 N/A ASP 250.A N SER 247.A OG no hydrogen 2.906 N/A ASN 252.A N ASP 250.A OD1 no hydrogen 2.917 N/A HIS 253.A N ASP 250.A O no hydrogen 2.847 N/A VAL 255.A N GLY 245.A O no hydrogen 2.900 N/A LEU 259.A N LYS 281.A O no hydrogen 2.775 N/A THR 260.A N LYS 241.A O no hydrogen 3.237 N/A THR 260.A OG1 LEU 283.A O no hydrogen 2.519 N/A CYS 262.A N HIS 239.A O no hydrogen 3.053 N/A CYS 262.A SG SER 263.A O no hydrogen 3.743 N/A SER 263.A OG ASP 266.A OD2 no hydrogen 3.106 N/A ALA 269.A N ASP 266.A O no hydrogen 3.052 N/A MET 272.A N THR 238.A O no hydrogen 3.022 N/A THR 273.A N ASP 276.A OD2 no hydrogen 2.791 N/A ASP 276.A N THR 273.A O no hydrogen 2.794 N/A VAL 277.A N TRP 274.A O no hydrogen 3.047 N/A LYS 281.A N PRO 278.A O no hydrogen 2.736 N/A LYS 281.A NZ ASP 257.A OD1 no hydrogen 2.671 N/A LYS 281.A NZ ASP 257.A OD2 no hydrogen 2.772 N/A LEU 283.A N LEU 259.A O no hydrogen 2.720 N/A GLU 284.A N GLU 284.A OE1 no hydrogen 2.436 N/A SER 288.A N ASP 291.A OD2 no hydrogen 3.000 N/A ASP 291.A N SER 288.A OG no hydrogen 2.968 N/A MET 292.A N SER 288.A O no hydrogen 3.056 N/A LEU 293.A N MET 289.A O no hydrogen 3.032 N/A ARG 294.A N SER 290.A O no hydrogen 2.958 N/A SER 295.A N ASP 291.A O no hydrogen 3.255 N/A SER 295.A OG ILE 222.A O no hydrogen 3.165 N/A SER 295.A OG ASP 225.A OD2 no hydrogen 2.765 N/A LEU 296.A N MET 292.A O no hydrogen 2.856 N/A SER 297.A N LEU 293.A O no hydrogen 2.791 N/A SER 297.A OG ARG 294.A O no hydrogen 2.910 N/A ASN 298.A N ARG 294.A O no hydrogen 2.927 N/A ASN 298.A N SER 295.A O no hydrogen 2.916 N/A THR 299.A N LEU 296.A O no hydrogen 2.987 N/A THR 299.A OG1 SER 295.A O no hydrogen 3.071 N/A THR 302.A N ASP 218.A OD2 no hydrogen 2.991 N/A THR 302.A OG1 ASP 218.A OD1 no hydrogen 2.848 N/A ASN 304.A N ASP 307.A OD2 no hydrogen 2.899 N/A ASP 307.A N ASN 304.A OD1 no hydrogen 2.999 N/A LEU 308.A N ASN 304.A O no hydrogen 3.214 N/A LEU 309.A N GLU 305.A O no hydrogen 2.901 N/A LYS 310.A N HIS 306.A O no hydrogen 3.000 N/A LEU 311.A N ASP 307.A O no hydrogen 3.052 N/A LYS 312.A N LEU 308.A O no hydrogen 3.005 N/A LYS 313.A N LEU 309.A O no hydrogen 3.054 N/A PHE 314.A N LYS 310.A O no hydrogen 3.425 N/A THR 315.A N LEU 311.A O no hydrogen 3.318 N/A THR 315.A OG1 LEU 311.A O no hydrogen 3.163 N/A GLU 316.A N LYS 312.A O no hydrogen 3.020 N/A ASP 317.A N LYS 313.A O no hydrogen 2.802 N/A PHE 318.A N GLU 316.A O no hydrogen 2.502 N/A GLY 319.A N THR 315.A O no hydrogen 3.029 N/A